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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5-Ethoxysorgoleone 358
|
372.50
|
6.4
|
1
|
4
|
63.6
|
14
|
|
|
[(2S,4S)-2-methyl-6-oxooxan-4-yl] 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
|
412.40
|
-0.1
|
4
|
10
|
151.98
|
6
|
|
|
Kaempferol 7-O-I+/--L-rhamnopyranoside-4a(2)-O-I(2)-D-glucopyranoside
|
594.50
|
-0.6
|
9
|
15
|
249.2
|
6
|
|
|
(3R,8R,9S,10S,13R,14S,17R)-17-[(E,2R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
414.70
|
9.4
|
1
|
1
|
20.23
|
5
|
|
|
(E)-4-[(1R,13R,15S)-6,8-dihydroxy-17,17-dimethyl-5,7-bis(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methylbut-2-enal
|
546.60
|
6
|
2
|
7
|
110.13
|
7
|
|
|
Chatenaytrienin 1
|
512.80
|
13.8
|
0
|
2
|
26.3
|
26
|
|
|
Chatenaytrienin 2
|
512.80
|
13.8
|
0
|
2
|
26.3
|
26
|
|
|
(2S)-4-[(11Z,15Z,19Z)-dotriaconta-11,15,19-trienyl]-2-methyl-2H-furan-5-one
|
540.90
|
14.9
|
0
|
2
|
26.3
|
28
|
|
|
(5S)-3-(13Z,17Z,21Z)-13,17,21-Dotriacontatrien-1-yl-5-methyl-2(5H)-furanone
|
540.90
|
14.9
|
0
|
2
|
26.3
|
28
|
|
|
(5S)-3-(11Z,15Z)-11,15-Dotriacontadien-1-yl-5-methyl-2(5H)-furanone
|
542.90
|
15.8
|
0
|
2
|
26.3
|
29
|
|
|
(5S)-5-Methyl-3-(13Z,17Z)-13,17-triacontadien-1-yl-2(5H)-furanone
|
514.90
|
14.7
|
0
|
2
|
26.3
|
27
|
|
|
(Z)-6-hydroxy-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-2-en-4-one
|
236.35
|
2.6
|
1
|
2
|
37.3
|
4
|
|
|
(1R,1aR,1bS,5R,5aR,6aR)-5a-methyl-2-methylidene-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]inden-5-ol
|
220.35
|
3.2
|
1
|
1
|
20.23
|
1
|
|
|
Petunidin 3-rutinoside
|
625.60
|
|
10
|
15
|
259.75
|
7
|
|
|
(1R,2S,4S,7R,8S)-6-[(2R,3R)-2,3-dimethyloxiran-2-yl]-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
|
368.40
|
1.1
|
0
|
5
|
63.66
|
2
|
|
|
N-[(1S,2S,4S,5R)-1'-methoxy-2'-oxo-8-propanoylspiro[6-oxabicyclo[3.2.2]non-8-ene-4,3'-indole]-2-yl]acetamide
|
384.40
|
0.6
|
1
|
5
|
84.94
|
4
|
|
|
N-[(1S,2S,4S,5R)-1'-methoxy-2'-oxo-8-propanoylspiro[6-oxabicyclo[3.2.2]non-8-ene-4,3'-indole]-2-yl]formamide
|
370.40
|
0.6
|
1
|
5
|
84.94
|
4
|
|
|
Diosgenin acetate
|
456.70
|
6.2
|
0
|
4
|
44.76
|
2
|
|
|
2-[(1S,2S,3R,6R,10R,11S,12S)-7-(1,3-benzodioxol-5-yl)-9-oxo-2-tetracyclo[8.2.1.03,12.06,11]trideca-4,7-dienyl]acetic acid
|
364.40
|
2.4
|
1
|
5
|
72.83
|
3
|
|
|
(1S,2S,3R,12S)-9-hydroxy-2-octyl-4-oxotetracyclo[8.2.1.03,12.06,11]trideca-6(11),7,9-triene-7-carboxylic acid
|
356.50
|
5.3
|
2
|
4
|
74.6
|
8
|
|
|
(2S,3R,4S,5R)-2-[(2R,3R,4R,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
|
448.40
|
-2.3
|
8
|
12
|
198.76
|
7
|
|
|
(2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
|
448.40
|
-2.3
|
8
|
12
|
198.76
|
7
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
462.40
|
-1.9
|
8
|
12
|
198.76
|
7
|
|
|
(8aR,10aS)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-1-ol
|
364.50
|
6.2
|
2
|
3
|
49.69
|
2
|
|
|
4-[(1S,2S,5R)-5-ethenyl-2-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]phenol
|
274.40
|
4.5
|
2
|
2
|
40.46
|
3
|
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